SCHEMBL8401167

SCHEMBL8401167

[C-]#[N+]c1c(C2CCCC2)cc(-c2ccc(Oc3ccccc3)cc2)nc1Cl

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BTK Q06187 2/20 0.38
DHODH Q02127 3/20 0.38
MCL1 Q07820 4/20 0.37
XDH P47989 1/20 0.37
TNK2 Q07912 4/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ADORA3 P0DMS8 2/20 0.36
ADORA2B P29275 2/20 0.36
ADORA1 P30542 2/20 0.36
ADORA2A P29274 1/20 0.35
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PTGS2 P35354 1/20 0.34
LCK P06239 1/20 0.34
KDR P35968 1/20 0.34
TEK Q02763 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8401178 0.81 L3MBTL1 (0.48) BTKDHODHMCL1XDHTNK2
SCHEMBL8401171 0.73 GPR84 (0.43) BTKXDHNPC1RAB9AADORA1
SCHEMBL8534916 0.70 HPGD (0.43) BTKMCL1XDHTNK2TDP1
SCHEMBL18780332 0.70 BTK (0.57) BTKMCL1XDHTNK2NPC1
SCHEMBL8401177 0.69 BTK (0.51) BTKXDHTNK2NPC1RAB9A
SCHEMBL8534958 0.68 KDM4E (0.51) ADORA1ADORA2ATDP1
SCHEMBL8401168 0.67 ALDH1A1 (0.53) BTKADORA1ADORA2AMAPK1TDP1
SCHEMBL8401218 0.63 L3MBTL1 (0.43) NPC1RAB9AADORA1ADORA2A
SCHEMBL8401200 0.63 L3MBTL1 (0.49) NPC1RAB9AADORA1ADORA2ATDP1
SCHEMBL20809296 0.62 DHODH (0.54) DHODHADORA3ADORA2BADORA1ADORA2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8846673-B2 Azaindazoles as kinase inhibitors and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-30 US disclosed
US-20120129852-A1 AZAINDAZOLES AS KINASE INHIBITORS AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2012-05-24 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120129852-A1 AZAINDAZOLES AS KINASE INHIBITORS AND USE THEREOF BTK, ABL1, JAK1 BTK 1/4885DHODH 2962/4885MCL1 479/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.